5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline

C13H12N4O2 — CID 115372664

IUPAC5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
SMILESCOc1ccc(Oc2ccn3nccc3n2)c(N)c1
InChIInChI=1S/C13H12N4O2/c1-18-9-2-3-11(10(14)8-9)19-13-5-7-17-12(16-13)4-6-15-17/h2-8H,14H2,1H3
InChIKeyNLHUUQSFTFQQOL-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.11
Rot. Bonds3

About 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline

5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline (PubChem CID 115372664) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline.

Molecular Properties

Compound Name5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
PubChem CID115372664
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
SMILESCOc1ccc(Oc2ccn3nccc3n2)c(N)c1
InChIInChI=1S/C13H12N4O2/c1-18-9-2-3-11(10(14)8-9)19-13-5-7-17-12(16-13)4-6-15-17/h2-8H,14H2,1H3
InChIKeyNLHUUQSFTFQQOL-UHFFFAOYSA-N
XLogP2.11
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 113296761
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372263
5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 83132957
5-methoxy-2-pyrimidin-4-yloxyaniline
CID 61253774
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372265
(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372967
(2-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanol
CID 107713486
(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372963
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
2-[(5-chloro-2-pyridinyl)oxy]-5-methoxyaniline
CID 43173743
5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 106973111

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
The IUPAC name of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline (CID 115372664) is 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline.
What is the SMILES notation for 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
The canonical SMILES for 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline is COc1ccc(Oc2ccn3nccc3n2)c(N)c1.
What is the InChIKey of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
The InChIKey is NLHUUQSFTFQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-18-9-2-3-11(10(14)8-9)19-13-5-7-17-12(16-13)4-6-15-17/h2-8H,14H2,1H3.
What are the key properties of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline has a molecular weight of 256.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline is sourced from PubChem (CID 115372664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).